Effects of vertical strain on zigzag graphene nanoribbon with a topological line defect

•For a given deformation size, the strain energy increases with increasing vertical distance.•For a fixed vertical distance, a smaller deformation zone generates larger strain energy.•A local spin distribution appears in the deformation region.

We report the elastic, electronic and magnetic properties of naked ZGNRs with topological line defects (LD-ZGNRs) lying symmetrically on the ribbon's middle under vertical strains at four types of line defect atoms by using a first-principles approach. By changing the position and size of the local deformation of the ribbon, the optimal position is obtained. Moreover, an apparent spin-splitting of the energy band is obtained when a local deformation is created by the vertically applied strain.

Graphical abstractThe elastic, electronic and magnetic properties of the zigzag graphene nanoribbon with a topological line defect are investigated under vertical strains using first-principles calculations.Figure optionsDownload full-size imageDownload as PowerPoint slideFigure optionsDownload full-size imageDownload as PowerPoint slide